Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-4.8704 0.2561 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8481 -0.9418 1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7311 -1.8571 1.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4594 -1.4823 1.1001 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9122 -1.1087 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7017 -1.0802 -1.0763 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5019 -0.7410 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2486 -2.1096 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6851 -1.9425 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1921 -2.2235 -1.6072 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4961 -1.4684 0.5092 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9114 -1.2814 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5656 -2.5847 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2358 -2.7067 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1188 0.1718 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5564 1.4607 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6427 1.5839 1.3948 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0572 2.6436 0.2046 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7486 3.8477 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 4.9309 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1876 4.6194 -0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3457 -0.2366 -1.6104 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7831 0.8148 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9766 0.7470 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8357 -1.3519 1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0501 -2.8475 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7060 -2.1037 2.5545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2506 -2.7270 -1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0090 -2.5464 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2740 -0.8879 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0616 -0.5819 -0.4945 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5108 -3.4200 0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7283 -3.6617 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3131 -1.8916 -1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2291 -0.3538 1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1541 0.4051 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7614 4.1355 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7934 3.8083 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2888 5.9474 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5152 3.5890 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7730 5.3853 -1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5927 -0.2086 -1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers